Information card for entry 1540747

Structure parameters

• Formula: C75.66 H95.66 B2 Cl10.97 F8 N8 Ni2
• Calculated formula: C75.657 H95.657 B2 Cl10.971 F8 N8 Ni2
• Title of publication: Cationic nickel porphyrinoids with unexpected reactivity
• Authors of publication: Wicht, Richard; Bahnmüller, Stefanie; Brandhorst, Kai; Schweyen, Peter; Bröring, Martin
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 583
• a: 15.0884 ± 0.0011 Å
• b: 31.4527 ± 0.0015 Å
• c: 18.2241 ± 0.0014 Å
• α: 90°
• β: 104.352 ± 0.007°
• γ: 90°
• Cell volume: 8378.7 ± 1 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No